Home Nitriles 4-Bromo-3-(hydroxymethyl)benzonitrile

4-Bromo-3-(hydroxymethyl)benzonitrile

CAS No.:
905710-66-9
Catalog Number:
AG00H32W
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$71
- +
250mg
97%
1 week
United States
$127
- +
Product Description
Catalog Number:
AG00H32W
Chemical Name:
4-Bromo-3-(hydroxymethyl)benzonitrile
CAS Number:
905710-66-9
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD11858305
IUPAC Name:
4-bromo-3-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6BrNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,11H,5H2
InChI Key:
MKEWOMLQLUYQPK-UHFFFAOYSA-N
SMILES:
OCc1cc(C#N)ccc1Br
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties